SCHEMBL33794

SCHEMBL33794

Nc1c(CO)nn2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.41
MIF P14174 2/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
PDE5A O76074 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
PDE4A P27815 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8800846 0.98 EGFR (0.41) EGFRMIFADORA2AADORA1ALDH1A1
SCHEMBL20341884 0.83 EGFR (0.38) EGFRMIFADORA2AADORA1ALDH1A1
SCHEMBL5847660 0.82 EGFR (0.41) EGFRMIFADORA2AADORA1ALDH1A1
Hydrochloric Acid SCHEMBL38663344 0.81 EGFR (0.41) EGFRMIFADORA2AADORA1ALDH1A1
SCHEMBL31671399 0.80 MAPT (0.41) EGFRMIFADORA2AADORA1ALDH1A1
SCHEMBL16425978 0.79 MIF (0.39) EGFRMIFADORA2AADORA1ALDH1A1
SCHEMBL6764795 0.78 ALDH1A1 (0.38) EGFRMIFADORA2AADORA1ALDH1A1
SCHEMBL20341902 0.77 TLR7 (0.41) EGFRMIFDRD2DRD4DRD3
SCHEMBL9282684 0.77 MIF (0.45) EGFRMIFADORA2AADORA1ALDH1A1
SCHEMBL4408717 0.76 EGFR (0.40) EGFRMIFADORA2AADORA1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1685 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730688-B2 Composition for dyeing the hair, comprising a heterocyclic oxidation base and a 2-amino-5-ethylphenol coupler L'OREAL (FR) 2023-08-22 US claimed
US-11555017-B2 Oxidation base derived from 1-hexyl-4,5-diaminopyrazole, composition containing same and use thereof in oxidation dyeing of keratin fibres L'OREAL (FR) 2023-01-17 US claimed
US-20200392088-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2020-12-17 US claimed
EP-3464247-B1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES OREAL (FR) 2020-03-11 EP claimed
EP-3464247-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES L'Oréal (FR) 2019-04-10 EP claimed
US-20180369104-A1 COMPOSITION FOR DYEING THE HAIR, COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 2-AMINO-5-ETHYLPHENOL COUPLER L'OREAL (FR) 2018-12-27 US claimed
WO-2017202884-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2017-11-30 WO claimed
EP-2651516-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'ORÉAL (FR) 2017-06-14 EP claimed
EP-2651935-B1 DYEING COMPOSITION COMPRISING A FATTY SUBSTANCE, A PYRAZOLOPYRIDINE OXIDATION BASE AND A COUPLER ORÉAL L (FR) 2016-11-23 EP claimed
US-9370477-B2 Dyeing composition comprising a fatty substance, a pyrazolopyridine oxidation base and a coupler L'OREAL (FR) 2016-06-21 US claimed
US-20060000033-A1 Dyeing composition comprising at least one elastomeric film-forming polymer and at least one oxidation dye precursor L'OREAL S.A. (FR) 2006-01-05 US claimed
US-6730789-B1 RADIATION RESISTANCE, WEATHERPROOF, WASHFASTNESS, COLORFASTNESS; HAIR DYES L'OREAL S.A. (FR) 2004-05-04 US claimed
EP-1372583-A1 OXIDATION DYEING COMPOSITION CONTAINING AT LEAST ONE 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINE OXIDATION BASE AND AT LEAST ONE PARTICULAR PYRAZOLOTRIAZOLE COUPLING AGENT L'OREAL (FR) 2004-01-02 EP claimed
EP-1372582-A1 OXIDATION DYEING COMPOSITION CONTAINING 3-AMINO PYRAZOLO- 1,5-A] PYRIDINE AND 2-AMINO-3-HYDROXY PYRIDINE L'OREAL (FR) 2004-01-02 EP claimed
EP-1372585-A1 OXIDATION DYEING COMPOSITION 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINE AND ONE PYRAZOLOTRIAZOLE COUPLING AGENT L'OREAL (FR) 2004-01-02 EP claimed
WO-2002076417-A1 OXIDATION DYEING COMPOSITION CONTAINING AT LEAST ONE 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINE OXIDATION BASE AND AT LEAST ONE PARTICULAR PYRAZOLOTRIAZOLE COUPLING AGENT L'OREAL (FR) 2002-10-03 WO claimed
WO-2002076416-A1 OXIDATION DYEING COMPOSITION CONTAINING 3-AMINO PYRAZOLO-[1,5-A] PYRIDINE AND 2-AMINO-3-HYDROXY PYRIDINE L'OREAL (FR) 2002-10-03 WO claimed
WO-2002076418-A1 OXIDATION DYEING COMPOSITION 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINE AND ONE PYRAZOLOTRIAZOLE COUPLING AGENT L'OREAL (FR) 2002-10-03 WO claimed
EP-1233743-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES L'OREAL (FR) 2002-08-28 EP claimed
WO-2001035917-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES L'OREAL (FR) 2001-05-25 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200392088-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES KRT18, ALK, AOC1 EGFR 1130/4885MIF 4872/4885ADORA2A 4699/4885
US-20180369104-A1 COMPOSITION FOR DYEING THE HAIR, COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 2-AMINO-5-ETHYLPHENOL COUPLER KRT18, COX5B, COX5A EGFR 932/4885MIF 4884/4885ADORA2A 4127/4885
US-11730688-B2 Composition for dyeing the hair, comprising a heterocyclic oxidation base and a 2-amino-5-ethylphenol coupler KRT18, COX5B, COX5A EGFR 932/4885MIF 4884/4885ADORA2A 4127/4885
US-20060000033-A1 Dyeing composition comprising at least one elastomeric film-forming polymer and at least one oxidation dye precursor RAD50, IK, RAD51 EGFR 3271/4885MIF 3607/4885ADORA2A 3436/4885
US-11555017-B2 Oxidation base derived from 1-hexyl-4,5-diaminopyrazole, composition containing same and use thereof in oxidation dyeing of keratin fibres KRT18, ALK, AOC1 EGFR 962/4885MIF 4873/4885ADORA2A 4525/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.